data_AVS_bmrb_pdb_report_19248
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 19248
_AVS_report.ID 1
_AVS_report.Software_ID 1
_AVS_report.Software_label $AVS
loop_
_AVS_analysis.Assembly_ID
_AVS_analysis.Entity_assembly_ID
_AVS_analysis.Entity_ID
_AVS_analysis.Comp_index_ID
_AVS_analysis.Comp_ID
_AVS_analysis.Comp_overall_assignment_score
_AVS_analysis.Comp_typing_score
_AVS_analysis.Comp_SRO_score
_AVS_analysis.Comp_1H_shifts_analysis_status
_AVS_analysis.Comp_13C_shifts_analysis_status
_AVS_analysis.Comp_15N_shifts_analysis_status
_AVS_analysis.SRO_rule_break
_AVS_analysis.SRO_rule_break_probability
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
1 1 1 1 U UNSUPPORTED . . . . . . . 19248 1
1 1 1 2 GLY UNSUPPORTED . . . . . . . 19248 1
1 1 1 3 ALA UNSUPPORTED . . . . . . . 19248 1
1 1 1 4 ALA UNSUPPORTED . . . . . . . 19248 1
1 1 1 5 GLY UNSUPPORTED . . . . . . . 19248 1
1 1 1 6 GLY UNSUPPORTED . . . . . . . 19248 1
1 1 1 7 ALA UNSUPPORTED . . . . . . . 19248 1
1 1 1 8 CYS UNSUPPORTED . . . . . . . 19248 1
1 1 2 30 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19248 1
stop_
loop_
_AVS_analysis.Assembly_ID
_AVS_analysis.Entity_assembly_ID
_AVS_analysis.Entity_ID
_AVS_analysis.Comp_index_ID
_AVS_analysis.Comp_ID
_AVS_analysis.Atom_ID
_AVS_analysis.Observed_chem_shift
_AVS_analysis.Observed_chem_shift_typing
_AVS_analysis.Stat_chem_shift_expected
_AVS_analysis.Stat_chem_shift_std
_AVS_analysis.Stat_chem_shift_chi_sqr
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
1 1 2 30 GLN CA 61.477 . 56.57 2.14 2.1849e-02 19248 1
1 1 2 30 GLN CB 26.307 . 29.19 1.82 1.1318e-01 19248 1
1 1 2 30 GLN CG 31.902 . 33.76 1.11 9.4155e-02 19248 1
1 1 2 30 GLN H 7.603 . 8.22 0.59 2.9567e-01 19248 1
1 1 2 30 GLN HA 2.509 S 4.27 0.44 6.2737e-05 19248 1
1 1 2 30 GLN HB2 0.944 S 2.05 0.25 9.6890e-06 19248 1
1 1 2 30 GLN HB3 0.912 S 2.02 0.28 7.5852e-05 19248 1
1 1 2 30 GLN HG2 0.529 S 2.32 0.27 3.2819e-11 19248 1
1 1 2 30 GLN HG3 -1.395 A 2.29 0.29 5.4141e-37 19248 1
1 1 2 30 GLN N 124.700 . 119.89 3.6 1.8151e-01 19248 1
stop_
loop_
_AVS_analysis.Assembly_ID
_AVS_analysis.Entity_assembly_ID
_AVS_analysis.Entity_ID
_AVS_analysis.Comp_index_ID
_AVS_analysis.Comp_ID
_AVS_analysis.PRTL_comp_type
_AVS_analysis.PRTL_probability_score
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
1 1 2 30 GLN CYS 0.42 19248 1
1 1 2 30 GLN PRO 0.36 19248 1
1 1 2 30 GLN ARG 0.1 19248 1
1 1 2 30 GLN LYS 0.07 19248 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 19248
_Software.ID 1
_Software.Name "AutoPeak - validate_assignments"
_Software.Version 2011-12-10
_Software.Details
;
Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous"
;
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
"Hunter Moseley"
;
Center for Advanced Biotechnology and Medicine
Rutgers University
679 Hoes Lane, Piscataway NJ 08854-5638
;
hunter@cabm.rutgers.edu 19248 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 19248 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 19248 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 19248
_Citation.ID 2
_Citation.Class citation
_Citation.PubMed_ID 14872126
_Citation.Full_citation
;
Moseley HN, Sahota G, Montelione GT., Assignment validation software suite
for the evaluation and presentation of protein resonance assignment data.
J Biomol NMR. 28, 341-55 (2004)
;
_Citation.Status published
_Citation.Type journal
save_